(3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-(4-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-(4-pyridylmethyl)nipecotamide Formula: C20H24ClN3O4S MolecularWeight: 437.94026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=NC=C3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC=NC=C3)Cl

InChI

InChI=1S/C20H24ClN3O4S/c1-2-28-19-6-5-17(12-18(19)21)29(26,27)24-11-3-4-16(14-24)20(25)23-13-15-7-9-22-10-8-15/h5-10,12,16H,2-4,11,13-14H2,1H3,(H,23,25)/t16-/m0/s1